Geometry & MOs

Info

ID:	372495
PubChem CID:	131298704
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	1.75
IP(EA), eV:	-10.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methylpiperazin-1-yl)-1,3-oxazol-4-yl]propan-2-amine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=NO1)Br)C2CCCC2

DOS

IR

Vibrations